MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001638
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001638
RECORD_TITLE: 4-METHYLQUINOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYLQUINOLINE
CH$NAME: LEPIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9N
CH$EXACT_MASS: 143.07350
CH$SMILES: Cc(c1)c(c2)c(ccc2)nc1
CH$IUPAC: InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
CH$LINK: CAS
491-35-0
CH$LINK: INCHIKEY
MUDSDYNRBDKLGK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047067
AC$INSTRUMENT: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f76-9500000000-6000c29c253b154abc3b
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
37 9.73 97
38 20.78 208
39 49.78 498
40 7.58 76
41 4.25 43
42 1.14 11
43 1.84 18
49 5.9 59
50 33.22 332
51 37.57 376
52 12.62 126
53 3.01 30
55 1.33 13
56 1.78 18
57 13.02 130
58 13.88 139
59 1.72 17
60 1.46 15
61 7.99 80
62 18.6 186
63 28.36 284
64 10.54 105
65 10.48 105
66 1.7 17
70 3.77 38
71 6.83 68
72 1.58 16
73 3.84 38
74 11.79 118
75 12.62 126
76 10.17 102
77 13.99 140
78 3.82 38
85 1.71 17
86 3.76 38
87 6.09 61
88 6.42 64
89 21.06 211
90 7.45 75
91 2.03 20
98 1.06 11
99 1.1 11
100 1.56 16
101 5.94 59
102 3.43 34
103 2.41 24
104 7.72 77
113 3.97 40
114 8.49 85
115 49.29 493
116 18.21 182
117 9.79 98
128 4.15 42
140 2.98 30
141 6.12 61
142 38.09 381
143 99.99 999
144 14.67 147
145 1.09 11
//